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Search term: 23311303 (Found by CSID)
ChemSpider 2D Image | (3Z,6S)-3-({5-[(2R)-3-Chloro-2-hydroxy-3-methylbutyl]-2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl}methylene)-6-methyl-2,5-piperazinedione | C24H30ClN3O3

(3Z,6S)-3-({5-[(2R)-3-Chloro-2-hydroxy-3-methylbutyl]-2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl}methylene)-6-methyl-2,5-piperazinedione

  • Molecular FormulaC24H30ClN3O3
  • Average mass443.966 Da
  • Monoisotopic mass443.197571 Da
  • ChemSpider ID23311303

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3Z,6S)-3-({5-[(2R)-3-Chlor-2-hydroxy-3-methylbutyl]-2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl}methylen)-6-methyl-2,5-piperazindion [German] [ACD/IUPAC Name]
(3Z,6S)-3-({5-[(2R)-3-Chloro-2-hydroxy-3-methylbutyl]-2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl}methylene)-6-methyl-2,5-piperazinedione [ACD/IUPAC Name]
(3Z,6S)-3-({5-[(2R)-3-Chloro-2-hydroxy-3-méthylbutyl]-2-(2-méthyl-3-butén-2-yl)-1H-indol-3-yl}méthylène)-6-méthyl-2,5-pipérazinedione [French] [ACD/IUPAC Name]
(3Z,6S)-3-({5-[(2R)-3-chloro-2-hydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl}methylidene)-6-methylpiperazine-2,5-dione
(3Z,6S)-3-[[5-[(2R)-3-Chloro-2-hydroxy-3-methylbutyl]-2-(1,1-dimethyl-2-propen-1-yl)-1H-indol-3-yl]methylene]-6-methyl-2,5-piperazinedione
2,5-Piperazinedione, 3-[[5-[(2R)-3-chloro-2-hydroxy-3-methylbutyl]-2-(1,1-dimethyl-2-propen-1-yl)-1H-indol-3-yl]methylene]-6-methyl-, (3Z,6S)- [ACD/Index Name]
957780-65-3 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL400169/
variecolorin A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 742.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 403.1±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 125.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 124.88
ACD/KOC (pH 5.5): 1102.26
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 124.87
ACD/KOC (pH 7.4): 1102.19
Polar Surface Area: 94 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 361.7±3.0 cm3

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